SCHEMBL6010900

SCHEMBL6010900

CC1(COc2ccc(N3CCN(C(=O)O)[C@H](C(C)(C)C)C3)c(Cl)c2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.54
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.32
CHRM1 P11229 1/20 0.32
WDR5 P61964 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6010897 1.00 KCNH2 (0.54) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010661 0.89 PTGS1 (0.60) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010655 0.89 PTGS1 (0.60) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010831 0.88 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010822 0.88 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541560 0.88 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541573 0.88 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541554 0.88 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010892 0.84 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010808 0.83 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KCNH2 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.